[1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane

C22H29P — CID 146499962

IUPAC[1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane
SMILESCc1cccc(C)c1C1CCCCC1(P)c1c(C)cccc1C
InChIInChI=1S/C22H29P/c1-15-9-7-10-16(2)20(15)19-13-5-6-14-22(19,23)21-17(3)11-8-12-18(21)4/h7-12,19H,5-6,13-14,23H2,1-4H3
InChIKeyZHTJQEZACKJJCE-UHFFFAOYSA-N
MW324.45 g/mol
LogP6.35
Rot. Bonds2

About [1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane

[1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane (PubChem CID 146499962) has the molecular formula C22H29P and a molecular weight of 324.45 g/mol. Its IUPAC name is [1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane.

Molecular Properties

Compound Name[1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane
PubChem CID146499962
Molecular FormulaC22H29P
Molecular Weight324.45 g/mol
Exact Mass324.20
IUPAC Name[1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane
SMILESCc1cccc(C)c1C1CCCCC1(P)c1c(C)cccc1C
InChIInChI=1S/C22H29P/c1-15-9-7-10-16(2)20(15)19-13-5-6-14-22(19,23)21-17(3)11-8-12-18(21)4/h7-12,19H,5-6,13-14,23H2,1-4H3
InChIKeyZHTJQEZACKJJCE-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane?
The IUPAC name of [1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane (CID 146499962) is [1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane.
What is the SMILES notation for [1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane?
The canonical SMILES for [1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane is Cc1cccc(C)c1C1CCCCC1(P)c1c(C)cccc1C.
What is the InChIKey of [1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane?
The InChIKey is ZHTJQEZACKJJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29P/c1-15-9-7-10-16(2)20(15)19-13-5-6-14-22(19,23)21-17(3)11-8-12-18(21)4/h7-12,19H,5-6,13-14,23H2,1-4H3.
What are the key properties of [1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane?
[1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane has a molecular weight of 324.45 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane is sourced from PubChem (CID 146499962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).